4-Bromo-2-methyl-1-nitrobenzene

CAS No. 52414-98-9
Cat. No. CS-W000606
Purity≥97%
MDL No.MFCD00137824

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4-Bromo-2-methyl-1-nitrobenzene|CS-W000606

Structure of 52414-98-9

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Description

4-Bromo-2-methyl-1-nitrobenzene features a nitro group flanked by bromine and methyl substituents, creating a uniquely positioned electron-deficient aromatic core. This configuration enables selective coupling reactions in cross-coupling protocols and facilitates downstream functionalization in pharmaceutical intermediates. The compound exhibits bench-stable handling under standard conditions.

Application

4-Bromo-2-methyl-1-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitro functionalities. The methyl group provides a site for further functionalization, while the nitro group facilitates reduction to an amino derivative under standard conditions. Its bench-stable nature and compatibility with diverse reaction systems make it a practical choice for constructing complex aromatic scaffolds.

General Information

CAS No. 52414-98-9
Cat. No. CS-W000606
Purity ≥97%
MDL No. MFCD00137824
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₆BrNO₂
Molecular Weight 216.03
Synonym(s) 5-Bromo-1-methyl-2-nitrobenzene
SMILES Brc1ccc(c(c1)C)[N+](=O)[O-]

Computational Chemistry Data

TPSA 43.14
LogP 2.66572
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-2-methyl-1-nitrobenzene

CAS No. 52414-98-9

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